1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol

C16H24N2O — CID 114679392

IUPAC1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2ccc(CNC3CC3)cc2)CCC1O
InChIInChI=1S/C16H24N2O/c1-12-11-18(9-8-16(12)19)15-6-2-13(3-7-15)10-17-14-4-5-14/h2-3,6-7,12,14,16-17,19H,4-5,8-11H2,1H3
InChIKeyNQJDZKYPJGLVQS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.15
Rot. Bonds4

About 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol

1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol (PubChem CID 114679392) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
PubChem CID114679392
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2ccc(CNC3CC3)cc2)CCC1O
InChIInChI=1S/C16H24N2O/c1-12-11-18(9-8-16(12)19)15-6-2-13(3-7-15)10-17-14-4-5-14/h2-3,6-7,12,14,16-17,19H,4-5,8-11H2,1H3
InChIKeyNQJDZKYPJGLVQS-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-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-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114679337
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961263
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 43280982
N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 61432717
N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide
CID 114680950
N-[[4-(4,4-dimethylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 65282584
1-[4-[(cyclopropylamino)methyl]phenyl]-4-methylazepan-4-ol
CID 107405481
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
4-[[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 122030606

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol (CID 114679392) is 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol is CC1CN(c2ccc(CNC3CC3)cc2)CCC1O.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol?
The InChIKey is NQJDZKYPJGLVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-11-18(9-8-16(12)19)15-6-2-13(3-7-15)10-17-14-4-5-14/h2-3,6-7,12,14,16-17,19H,4-5,8-11H2,1H3.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol?
1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol has a molecular weight of 260.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).