1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol

C20H33N3O — CID 97055529

IUPAC1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol
SMILESCC(C)N1C[C@H](Nc2cccc(CN3CCC(O)CC3)c2)[C@@H](C)C1
InChIInChI=1S/C20H33N3O/c1-15(2)23-12-16(3)20(14-23)21-18-6-4-5-17(11-18)13-22-9-7-19(24)8-10-22/h4-6,11,15-16,19-21,24H,7-10,12-14H2,1-3H3/t16-,20-/m0/s1
InChIKeyPEYFKWGZBTZVPI-JXFKEZNVSA-N
MW331.50 g/mol
LogP2.78
Rot. Bonds5

About 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol

1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol (PubChem CID 97055529) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol
PubChem CID97055529
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol
SMILESCC(C)N1C[C@H](Nc2cccc(CN3CCC(O)CC3)c2)[C@@H](C)C1
InChIInChI=1S/C20H33N3O/c1-15(2)23-12-16(3)20(14-23)21-18-6-4-5-17(11-18)13-22-9-7-19(24)8-10-22/h4-6,11,15-16,19-21,24H,7-10,12-14H2,1-3H3/t16-,20-/m0/s1
InChIKeyPEYFKWGZBTZVPI-JXFKEZNVSA-N
XLogP2.78
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol
CID 75425720
(3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide
CID 97244995
4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593822
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
CID 68964157
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
CID 71972865
N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide
CID 42956372
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
CID 64761861
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol (CID 97055529) is 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol is CC(C)N1C[C@H](Nc2cccc(CN3CCC(O)CC3)c2)[C@@H](C)C1.
What is the InChIKey of 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol?
The InChIKey is PEYFKWGZBTZVPI-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H33N3O/c1-15(2)23-12-16(3)20(14-23)21-18-6-4-5-17(11-18)13-22-9-7-19(24)8-10-22/h4-6,11,15-16,19-21,24H,7-10,12-14H2,1-3H3/t16-,20-/m0/s1.
What are the key properties of 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol?
1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol has a molecular weight of 331.50 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 97055529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).