4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol

C23H30N2O — CID 95230499

IUPAC4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol
SMILESC[C@@H](c1cccc(-c2ccc(C3(O)CCNCC3)cc2)c1)N1CCCC1
InChIInChI=1S/C23H30N2O/c1-18(25-15-2-3-16-25)20-5-4-6-21(17-20)19-7-9-22(10-8-19)23(26)11-13-24-14-12-23/h4-10,17-18,24,26H,2-3,11-16H2,1H3/t18-/m0/s1
InChIKeyHNCSNGIMDRIEGM-SFHVURJKSA-N
MW350.51 g/mol
LogP4.08
Rot. Bonds4

About 4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol

4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol (PubChem CID 95230499) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol
PubChem CID95230499
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol
SMILESC[C@@H](c1cccc(-c2ccc(C3(O)CCNCC3)cc2)c1)N1CCCC1
InChIInChI=1S/C23H30N2O/c1-18(25-15-2-3-16-25)20-5-4-6-21(17-20)19-7-9-22(10-8-19)23(26)11-13-24-14-12-23/h4-10,17-18,24,26H,2-3,11-16H2,1H3/t18-/m0/s1
InChIKeyHNCSNGIMDRIEGM-SFHVURJKSA-N
XLogP4.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol?
The IUPAC name of 4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol (CID 95230499) is 4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol?
The canonical SMILES for 4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol is C[C@@H](c1cccc(-c2ccc(C3(O)CCNCC3)cc2)c1)N1CCCC1.
What is the InChIKey of 4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol?
The InChIKey is HNCSNGIMDRIEGM-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18(25-15-2-3-16-25)20-5-4-6-21(17-20)19-7-9-22(10-8-19)23(26)11-13-24-14-12-23/h4-10,17-18,24,26H,2-3,11-16H2,1H3/t18-/m0/s1.
What are the key properties of 4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol?
4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol has a molecular weight of 350.51 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 95230499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).