(3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol

C21H28N2O — CID 56702090

IUPAC(3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol
SMILESO[C@@H]1CN(CC2CCNCC2)CC[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O/c24-21-15-23(14-16-7-10-22-11-8-16)12-9-20(21)19-6-5-17-3-1-2-4-18(17)13-19/h1-6,13,16,20-22,24H,7-12,14-15H2/t20-,21+/m0/s1
InChIKeyHORGSARUFRCULU-LEWJYISDSA-N
MW324.47 g/mol
LogP2.99
Rot. Bonds3

About (3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol

(3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol (PubChem CID 56702090) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol
PubChem CID56702090
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol
SMILESO[C@@H]1CN(CC2CCNCC2)CC[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C21H28N2O/c24-21-15-23(14-16-7-10-22-11-8-16)12-9-20(21)19-6-5-17-3-1-2-4-18(17)13-19/h1-6,13,16,20-22,24H,7-12,14-15H2/t20-,21+/m0/s1
InChIKeyHORGSARUFRCULU-LEWJYISDSA-N
XLogP2.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol (CID 56702090) is (3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol is O[C@@H]1CN(CC2CCNCC2)CC[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of (3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol?
The InChIKey is HORGSARUFRCULU-LEWJYISDSA-N. The full InChI is InChI=1S/C21H28N2O/c24-21-15-23(14-16-7-10-22-11-8-16)12-9-20(21)19-6-5-17-3-1-2-4-18(17)13-19/h1-6,13,16,20-22,24H,7-12,14-15H2/t20-,21+/m0/s1.
What are the key properties of (3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol?
(3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol has a molecular weight of 324.47 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-naphthalen-2-yl-1-(piperidin-4-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 56702090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).