(3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol

C15H19ClN2OS — CID 95869661

IUPAC(3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol
SMILESO[C@]1(CNCc2csc3ccc(Cl)cc23)CCCNC1
InChIInChI=1S/C15H19ClN2OS/c16-12-2-3-14-13(6-12)11(8-20-14)7-18-10-15(19)4-1-5-17-9-15/h2-3,6,8,17-19H,1,4-5,7,9-10H2/t15-/m1/s1
InChIKeyULBFBWTWQICVRD-OAHLLOKOSA-N
MW310.85 g/mol
LogP2.76
Rot. Bonds4

About (3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol

(3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol (PubChem CID 95869661) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is (3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol
PubChem CID95869661
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name(3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol
SMILESO[C@]1(CNCc2csc3ccc(Cl)cc23)CCCNC1
InChIInChI=1S/C15H19ClN2OS/c16-12-2-3-14-13(6-12)11(8-20-14)7-18-10-15(19)4-1-5-17-9-15/h2-3,6,8,17-19H,1,4-5,7,9-10H2/t15-/m1/s1
InChIKeyULBFBWTWQICVRD-OAHLLOKOSA-N
XLogP2.76
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol?
The IUPAC name of (3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol (CID 95869661) is (3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol is O[C@]1(CNCc2csc3ccc(Cl)cc23)CCCNC1.
What is the InChIKey of (3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol?
The InChIKey is ULBFBWTWQICVRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c16-12-2-3-14-13(6-12)11(8-20-14)7-18-10-15(19)4-1-5-17-9-15/h2-3,6,8,17-19H,1,4-5,7,9-10H2/t15-/m1/s1.
What are the key properties of (3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol?
(3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol has a molecular weight of 310.85 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]methyl]piperidin-3-ol is sourced from PubChem (CID 95869661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).