1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol

C23H33N3O — CID 42541133

IUPAC1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol
SMILESCc1ccc2cc(CNCC3CCCCC3)c(N3CCC(O)CC3)nc2c1
InChIInChI=1S/C23H33N3O/c1-17-7-8-19-14-20(16-24-15-18-5-3-2-4-6-18)23(25-22(19)13-17)26-11-9-21(27)10-12-26/h7-8,13-14,18,21,24,27H,2-6,9-12,15-16H2,1H3
InChIKeySVIGERRGQZQSHN-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.17
Rot. Bonds5

About 1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol

1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol (PubChem CID 42541133) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol
PubChem CID42541133
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol
SMILESCc1ccc2cc(CNCC3CCCCC3)c(N3CCC(O)CC3)nc2c1
InChIInChI=1S/C23H33N3O/c1-17-7-8-19-14-20(16-24-15-18-5-3-2-4-6-18)23(25-22(19)13-17)26-11-9-21(27)10-12-26/h7-8,13-14,18,21,24,27H,2-6,9-12,15-16H2,1H3
InChIKeySVIGERRGQZQSHN-UHFFFAOYSA-N
XLogP4.17
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol (CID 42541133) is 1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol is Cc1ccc2cc(CNCC3CCCCC3)c(N3CCC(O)CC3)nc2c1.
What is the InChIKey of 1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
The InChIKey is SVIGERRGQZQSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17-7-8-19-14-20(16-24-15-18-5-3-2-4-6-18)23(25-22(19)13-17)26-11-9-21(27)10-12-26/h7-8,13-14,18,21,24,27H,2-6,9-12,15-16H2,1H3.
What are the key properties of 1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol has a molecular weight of 367.54 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(cyclohexylmethylamino)methyl]-7-methylquinolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 42541133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).