5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine

C25H42N4O — CID 167284688

IUPAC5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine
SMILESCCc1cnc(C2CCN(C3CCN(C4CCC(OC(C)C)CC4)CC3)CC2)nc1
InChIInChI=1S/C25H42N4O/c1-4-20-17-26-25(27-18-20)21-9-13-28(14-10-21)23-11-15-29(16-12-23)22-5-7-24(8-6-22)30-19(2)3/h17-19,21-24H,4-16H2,1-3H3
InChIKeyVPCSCHFTDHQEDL-UHFFFAOYSA-N
MW414.64 g/mol
LogP4.42
Rot. Bonds6

About 5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine

5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine (PubChem CID 167284688) has the molecular formula C25H42N4O and a molecular weight of 414.64 g/mol. Its IUPAC name is 5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine
PubChem CID167284688
Molecular FormulaC25H42N4O
Molecular Weight414.64 g/mol
Exact Mass414.34
IUPAC Name5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine
SMILESCCc1cnc(C2CCN(C3CCN(C4CCC(OC(C)C)CC4)CC3)CC2)nc1
InChIInChI=1S/C25H42N4O/c1-4-20-17-26-25(27-18-20)21-9-13-28(14-10-21)23-11-15-29(16-12-23)22-5-7-24(8-6-22)30-19(2)3/h17-19,21-24H,4-16H2,1-3H3
InChIKeyVPCSCHFTDHQEDL-UHFFFAOYSA-N
XLogP4.42
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.64
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine (CID 167284688) is 5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine is CCc1cnc(C2CCN(C3CCN(C4CCC(OC(C)C)CC4)CC3)CC2)nc1.
What is the InChIKey of 5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine?
The InChIKey is VPCSCHFTDHQEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O/c1-4-20-17-26-25(27-18-20)21-9-13-28(14-10-21)23-11-15-29(16-12-23)22-5-7-24(8-6-22)30-19(2)3/h17-19,21-24H,4-16H2,1-3H3.
What are the key properties of 5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine?
5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine has a molecular weight of 414.64 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-[1-(4-propan-2-yloxycyclohexyl)piperidin-4-yl]piperidin-4-yl]pyrimidine is sourced from PubChem (CID 167284688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).