1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol

C22H31ClN2O2 — CID 70930549

IUPAC1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol
SMILESCCC(C)C(CN1CCC(O)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H31ClN2O2/c1-3-16(2)21(15-25-12-10-19(26)11-13-25)24-14-20-8-9-22(27-20)17-4-6-18(23)7-5-17/h4-9,16,19,21,24,26H,3,10-15H2,1-2H3
InChIKeyWJPWNNKRMDFMSN-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.56
Rot. Bonds8

About 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol

1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol (PubChem CID 70930549) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol
PubChem CID70930549
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC Name1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol
SMILESCCC(C)C(CN1CCC(O)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H31ClN2O2/c1-3-16(2)21(15-25-12-10-19(26)11-13-25)24-14-20-8-9-22(27-20)17-4-6-18(23)7-5-17/h4-9,16,19,21,24,26H,3,10-15H2,1-2H3
InChIKeyWJPWNNKRMDFMSN-UHFFFAOYSA-N
XLogP4.56
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]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

2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 8637675
(1S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 52910511
1-[3-methyl-2-[[3-(4-methylphenoxy)phenyl]methylamino]pentyl]piperidin-4-ol
CID 59549352
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17332091
2-[4-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 55381607
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 55917811
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
CID 26042056
(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622634
(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622629

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol?
The IUPAC name of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol (CID 70930549) is 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol is CCC(C)C(CN1CCC(O)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol?
The InChIKey is WJPWNNKRMDFMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O2/c1-3-16(2)21(15-25-12-10-19(26)11-13-25)24-14-20-8-9-22(27-20)17-4-6-18(23)7-5-17/h4-9,16,19,21,24,26H,3,10-15H2,1-2H3.
What are the key properties of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol?
1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol has a molecular weight of 390.96 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol is sourced from PubChem (CID 70930549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).