6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile

C23H29N5O — CID 56871961

IUPAC6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)n1
InChIInChI=1S/C23H29N5O/c24-17-20-7-4-8-23(25-20)28-12-10-21(22(29)18-28)27-15-13-26(14-16-27)11-9-19-5-2-1-3-6-19/h1-8,21-22,29H,9-16,18H2/t21-,22-/m1/s1
InChIKeyFAHDMNLHOCKSCE-FGZHOGPDSA-N
MW391.52 g/mol
LogP1.75
Rot. Bonds5

About 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile

6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 56871961) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID56871961
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)n1
InChIInChI=1S/C23H29N5O/c24-17-20-7-4-8-23(25-20)28-12-10-21(22(29)18-28)27-15-13-26(14-16-27)11-9-19-5-2-1-3-6-19/h1-8,21-22,29H,9-16,18H2/t21-,22-/m1/s1
InChIKeyFAHDMNLHOCKSCE-FGZHOGPDSA-N
XLogP1.75
TPSA66.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile
CID 56861281
(3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
CID 133134867
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
CID 81198880
(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29085357
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
(3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29023638
(3R,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 45232296
[(3S,4S)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 133119092
2-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 64590131
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 30728450
1-(6-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 133313558

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile (CID 56871961) is 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)n1.
What is the InChIKey of 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is FAHDMNLHOCKSCE-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H29N5O/c24-17-20-7-4-8-23(25-20)28-12-10-21(22(29)18-28)27-15-13-26(14-16-27)11-9-19-5-2-1-3-6-19/h1-8,21-22,29H,9-16,18H2/t21-,22-/m1/s1.
What are the key properties of 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile?
6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 391.52 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 56871961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).