N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline

C28H41N3O — CID 22678494

IUPACN-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline
SMILESCOc1ncccc1CN1CCC(CCc2ccccc2N(C)CC2CCCCC2)CC1
InChIInChI=1S/C28H41N3O/c1-30(21-24-9-4-3-5-10-24)27-13-7-6-11-25(27)15-14-23-16-19-31(20-17-23)22-26-12-8-18-29-28(26)32-2/h6-8,11-13,18,23-24H,3-5,9-10,14-17,19-22H2,1-2H3
InChIKeyLZCHNTHMLMXCRF-UHFFFAOYSA-N
MW435.66 g/mol
LogP5.95
Rot. Bonds9

About N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline

N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline (PubChem CID 22678494) has the molecular formula C28H41N3O and a molecular weight of 435.66 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline
PubChem CID22678494
Molecular FormulaC28H41N3O
Molecular Weight435.66 g/mol
Exact Mass435.32
IUPAC NameN-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline
SMILESCOc1ncccc1CN1CCC(CCc2ccccc2N(C)CC2CCCCC2)CC1
InChIInChI=1S/C28H41N3O/c1-30(21-24-9-4-3-5-10-24)27-13-7-6-11-25(27)15-14-23-16-19-31(20-17-23)22-26-12-8-18-29-28(26)32-2/h6-8,11-13,18,23-24H,3-5,9-10,14-17,19-22H2,1-2H3
InChIKeyLZCHNTHMLMXCRF-UHFFFAOYSA-N
XLogP5.95
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.66
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline (CID 22678494) is N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline is COc1ncccc1CN1CCC(CCc2ccccc2N(C)CC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline?
The InChIKey is LZCHNTHMLMXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O/c1-30(21-24-9-4-3-5-10-24)27-13-7-6-11-25(27)15-14-23-16-19-31(20-17-23)22-26-12-8-18-29-28(26)32-2/h6-8,11-13,18,23-24H,3-5,9-10,14-17,19-22H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline?
N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline has a molecular weight of 435.66 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline is sourced from PubChem (CID 22678494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).