1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol

C17H28N2O — CID 63059803

IUPAC1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
SMILESCc1cc(N2CCC(O)CC2)ccc1CNCC(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)11-18-12-15-4-5-16(10-14(15)3)19-8-6-17(20)7-9-19/h4-5,10,13,17-18,20H,6-9,11-12H2,1-3H3
InChIKeyIMZRVCPITXDFKQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.70
Rot. Bonds5

About 1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol

1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol (PubChem CID 63059803) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
PubChem CID63059803
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
SMILESCc1cc(N2CCC(O)CC2)ccc1CNCC(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)11-18-12-15-4-5-16(10-14(15)3)19-8-6-17(20)7-9-19/h4-5,10,13,17-18,20H,6-9,11-12H2,1-3H3
InChIKeyIMZRVCPITXDFKQ-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.70
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'}

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Related Compounds

1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626665
4-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione
CID 66085555
N-[[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 62135677
1-[3-bromo-4-(ethylaminomethyl)phenyl]piperidin-4-ol
CID 114060688
N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62134046
N-[[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62930040
1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782312
1-[4-(chloromethyl)-3-methylphenyl]-4-propan-2-ylpiperidine
CID 103498686
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylphenyl]methyl]ethanamine
CID 115560663
[4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol
CID 62135741
N-[[4-(azocan-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62134161
N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512616

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol (CID 63059803) is 1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol is Cc1cc(N2CCC(O)CC2)ccc1CNCC(C)C.
What is the InChIKey of 1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol?
The InChIKey is IMZRVCPITXDFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)11-18-12-15-4-5-16(10-14(15)3)19-8-6-17(20)7-9-19/h4-5,10,13,17-18,20H,6-9,11-12H2,1-3H3.
What are the key properties of 1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol?
1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol has a molecular weight of 276.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 63059803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).