N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine

C19H32N2 — CID 63854876

IUPACN-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H32N2/c1-5-11-20-17(4)19-8-6-7-12-21(19)14-18-10-9-15(2)16(3)13-18/h9-10,13,17,19-20H,5-8,11-12,14H2,1-4H3
InChIKeyJWHPLACXNKEGMR-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.05
Rot. Bonds6

About N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine

N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine (PubChem CID 63854876) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
PubChem CID63854876
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H32N2/c1-5-11-20-17(4)19-8-6-7-12-21(19)14-18-10-9-15(2)16(3)13-18/h9-10,13,17,19-20H,5-8,11-12,14H2,1-4H3
InChIKeyJWHPLACXNKEGMR-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63853661
N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63852769
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 55256480
2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol
CID 83982378
N-[1-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 82865657
N-ethyl-1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 63855213
N-[1-[1-(cyclopentylmethyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63854878
N-[1-[1-(2-methylbutyl)piperidin-2-yl]ethyl]propan-1-amine
CID 55256667
N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine
CID 63853121
1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 63853660
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041448

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine (CID 63854876) is N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCCN1Cc1ccc(C)c(C)c1.
What is the InChIKey of N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
The InChIKey is JWHPLACXNKEGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-11-20-17(4)19-8-6-7-12-21(19)14-18-10-9-15(2)16(3)13-18/h9-10,13,17,19-20H,5-8,11-12,14H2,1-4H3.
What are the key properties of N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63854876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).