2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine

C60H77N5O2 — CID 90033676

IUPAC2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine
SMILESCC(C)(C)C1CCC(Oc2ccc3cc(CN4CCC(c5ccccn5)CC4)ccc3c2)CC1.CC(C)C1CCC(Oc2ccc3cc(CN4CCN(c5ccccn5)CC4)ccc3c2)CC1
InChIInChI=1S/C31H40N2O.C29H37N3O/c1-31(2,3)27-10-13-28(14-11-27)34-29-12-9-25-20-23(7-8-26(25)21-29)22-33-18-15-24(16-19-33)30-6-4-5-17-32-30;1-22(2)24-8-11-27(12-9-24)33-28-13-10-25-19-23(6-7-26(25)20-28)21-31-15-17-32(18-16-31)29-5-3-4-14-30-29/h4-9,12,17,20-21,24,27-28H,10-11,13-16,18-19,22H2,1-3H3;3-7,10,13-14,19-20,22,24,27H,8-9,11-12,15-18,21H2,1-2H3
InChIKeyUGTLNNJJWCDLJD-UHFFFAOYSA-N
MW900.31 g/mol
LogP13.75
Rot. Bonds11

About 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine

2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine (PubChem CID 90033676) has the molecular formula C60H77N5O2 and a molecular weight of 900.31 g/mol. Its IUPAC name is 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine
PubChem CID90033676
Molecular FormulaC60H77N5O2
Molecular Weight900.31 g/mol
Exact Mass899.61
IUPAC Name2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine
SMILESCC(C)(C)C1CCC(Oc2ccc3cc(CN4CCC(c5ccccn5)CC4)ccc3c2)CC1.CC(C)C1CCC(Oc2ccc3cc(CN4CCN(c5ccccn5)CC4)ccc3c2)CC1
InChIInChI=1S/C31H40N2O.C29H37N3O/c1-31(2,3)27-10-13-28(14-11-27)34-29-12-9-25-20-23(7-8-26(25)21-29)22-33-18-15-24(16-19-33)30-6-4-5-17-32-30;1-22(2)24-8-11-27(12-9-24)33-28-13-10-25-19-23(6-7-26(25)20-28)21-31-15-17-32(18-16-31)29-5-3-4-14-30-29/h4-9,12,17,20-21,24,27-28H,10-11,13-16,18-19,22H2,1-3H3;3-7,10,13-14,19-20,22,24,27H,8-9,11-12,15-18,21H2,1-2H3
InChIKeyUGTLNNJJWCDLJD-UHFFFAOYSA-N
XLogP13.75
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.31
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine (CID 90033676) is 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine is CC(C)(C)C1CCC(Oc2ccc3cc(CN4CCC(c5ccccn5)CC4)ccc3c2)CC1.CC(C)C1CCC(Oc2ccc3cc(CN4CCN(c5ccccn5)CC4)ccc3c2)CC1.
What is the InChIKey of 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is UGTLNNJJWCDLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O.C29H37N3O/c1-31(2,3)27-10-13-28(14-11-27)34-29-12-9-25-20-23(7-8-26(25)21-29)22-33-18-15-24(16-19-33)30-6-4-5-17-32-30;1-22(2)24-8-11-27(12-9-24)33-28-13-10-25-19-23(6-7-26(25)20-28)21-31-15-17-32(18-16-31)29-5-3-4-14-30-29/h4-9,12,17,20-21,24,27-28H,10-11,13-16,18-19,22H2,1-3H3;3-7,10,13-14,19-20,22,24,27H,8-9,11-12,15-18,21H2,1-2H3.
What are the key properties of 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine?
2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 900.31 g/mol, XLogP of 13.75, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidin-4-yl]pyridine;1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 90033676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).