[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol

C23H26N2O2 — CID 97438095

IUPAC[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
SMILESCc1ccc(OC[C@H]2CCCN(c3nc4ccccc4cc3CO)C2)cc1
InChIInChI=1S/C23H26N2O2/c1-17-8-10-21(11-9-17)27-16-18-5-4-12-25(14-18)23-20(15-26)13-19-6-2-3-7-22(19)24-23/h2-3,6-11,13,18,26H,4-5,12,14-16H2,1H3/t18-/m0/s1
InChIKeyGIMVILQFERTTPU-SFHVURJKSA-N
MW362.47 g/mol
LogP4.33
Rot. Bonds5

About [2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol

[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol (PubChem CID 97438095) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is [2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
PubChem CID97438095
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
SMILESCc1ccc(OC[C@H]2CCCN(c3nc4ccccc4cc3CO)C2)cc1
InChIInChI=1S/C23H26N2O2/c1-17-8-10-21(11-9-17)27-16-18-5-4-12-25(14-18)23-20(15-26)13-19-6-2-3-7-22(19)24-23/h2-3,6-11,13,18,26H,4-5,12,14-16H2,1H3/t18-/m0/s1
InChIKeyGIMVILQFERTTPU-SFHVURJKSA-N
XLogP4.33
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol?
The IUPAC name of [2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol (CID 97438095) is [2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol is Cc1ccc(OC[C@H]2CCCN(c3nc4ccccc4cc3CO)C2)cc1.
What is the InChIKey of [2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol?
The InChIKey is GIMVILQFERTTPU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17-8-10-21(11-9-17)27-16-18-5-4-12-25(14-18)23-20(15-26)13-19-6-2-3-7-22(19)24-23/h2-3,6-11,13,18,26H,4-5,12,14-16H2,1H3/t18-/m0/s1.
What are the key properties of [2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol?
[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol has a molecular weight of 362.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol is sourced from PubChem (CID 97438095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).