(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol

C15H17ClN2O2 — CID 155498947

IUPAC(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
SMILESOC[C@@H]1CN(c2ccnc3cc(Cl)ccc23)CC[C@@H]1O
InChIInChI=1S/C15H17ClN2O2/c16-11-1-2-12-13(7-11)17-5-3-14(12)18-6-4-15(20)10(8-18)9-19/h1-3,5,7,10,15,19-20H,4,6,8-9H2/t10-,15-/m0/s1
InChIKeyDNQGDQLWWKTWPW-BONVTDFDSA-N
MW292.77 g/mol
LogP2.07
Rot. Bonds2

About (3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol

(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol (PubChem CID 155498947) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
PubChem CID155498947
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
SMILESOC[C@@H]1CN(c2ccnc3cc(Cl)ccc23)CC[C@@H]1O
InChIInChI=1S/C15H17ClN2O2/c16-11-1-2-12-13(7-11)17-5-3-14(12)18-6-4-15(20)10(8-18)9-19/h1-3,5,7,10,15,19-20H,4,6,8-9H2/t10-,15-/m0/s1
InChIKeyDNQGDQLWWKTWPW-BONVTDFDSA-N
XLogP2.07
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56904897
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
[4-(7-chloroquinolin-4-yl)morpholin-2-yl]methanol
CID 79839533
2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol
CID 133315313
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
CID 63390489
7-chloro-4-(3-methylpiperazin-1-yl)quinoline
CID 21101961
7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
CID 133341876
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of (3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol (CID 155498947) is (3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol is OC[C@@H]1CN(c2ccnc3cc(Cl)ccc23)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol?
The InChIKey is DNQGDQLWWKTWPW-BONVTDFDSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-11-1-2-12-13(7-11)17-5-3-14(12)18-6-4-15(20)10(8-18)9-19/h1-3,5,7,10,15,19-20H,4,6,8-9H2/t10-,15-/m0/s1.
What are the key properties of (3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol?
(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol has a molecular weight of 292.77 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 155498947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).