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

C19H32N2 — CID 105348367

IUPACN-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(CN2CCC(C)C(C)C2)cc1
InChIInChI=1S/C19H32N2/c1-15(2)20-11-9-18-5-7-19(8-6-18)14-21-12-10-16(3)17(4)13-21/h5-8,15-17,20H,9-14H2,1-4H3
InChIKeyRBSXCMYFMWEEMZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.70
Rot. Bonds6

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

N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine (PubChem CID 105348367) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
PubChem CID105348367
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(CN2CCC(C)C(C)C2)cc1
InChIInChI=1S/C19H32N2/c1-15(2)20-11-9-18-5-7-19(8-6-18)14-21-12-10-16(3)17(4)13-21/h5-8,15-17,20H,9-14H2,1-4H3
InChIKeyRBSXCMYFMWEEMZ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654
N-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105347084
2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352099
N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347945
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469
2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105346515
3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 102960231
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105346519
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
CID 97341089
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105348275

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine (CID 105348367) is N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccc(CN2CCC(C)C(C)C2)cc1.
What is the InChIKey of N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The InChIKey is RBSXCMYFMWEEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)20-11-9-18-5-7-19(8-6-18)14-21-12-10-16(3)17(4)13-21/h5-8,15-17,20H,9-14H2,1-4H3.
What are the key properties of N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 105348367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).