1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol

C16H26N2O — CID 114681980

IUPAC1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol
SMILESCc1ccccc1C(N)CCN1CCC(O)C(C)C1
InChIInChI=1S/C16H26N2O/c1-12-5-3-4-6-14(12)15(17)7-9-18-10-8-16(19)13(2)11-18/h3-6,13,15-16,19H,7-11,17H2,1-2H3
InChIKeyNQGMKSRMKXXZIF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.09
Rot. Bonds4

About 1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol

1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol (PubChem CID 114681980) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol
PubChem CID114681980
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol
SMILESCc1ccccc1C(N)CCN1CCC(O)C(C)C1
InChIInChI=1S/C16H26N2O/c1-12-5-3-4-6-14(12)15(17)7-9-18-10-8-16(19)13(2)11-18/h3-6,13,15-16,19H,7-11,17H2,1-2H3
InChIKeyNQGMKSRMKXXZIF-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 103538996
1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775535
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
3-(4-tert-butylpiperazin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 62625581
[1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol
CID 62629452
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 83221213
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
CID 114682044
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
CID 62888334
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol (CID 114681980) is 1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol is Cc1ccccc1C(N)CCN1CCC(O)C(C)C1.
What is the InChIKey of 1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol?
The InChIKey is NQGMKSRMKXXZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-5-3-4-6-14(12)15(17)7-9-18-10-8-16(19)13(2)11-18/h3-6,13,15-16,19H,7-11,17H2,1-2H3.
What are the key properties of 1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol?
1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol has a molecular weight of 262.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).