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

C17H28N2 — CID 105347823

IUPAC2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccc(CN2CCCC(C)(C)C2)cc1
InChIInChI=1S/C17H28N2/c1-14(11-18)16-7-5-15(6-8-16)12-19-10-4-9-17(2,3)13-19/h5-8,14H,4,9-13,18H2,1-3H3
InChIKeyHJCPPMPKRDVPPU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.37
Rot. Bonds4

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

2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine (PubChem CID 105347823) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
PubChem CID105347823
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccc(CN2CCCC(C)(C)C2)cc1
InChIInChI=1S/C17H28N2/c1-14(11-18)16-7-5-15(6-8-16)12-19-10-4-9-17(2,3)13-19/h5-8,14H,4,9-13,18H2,1-3H3
InChIKeyHJCPPMPKRDVPPU-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fenpropidin
CID 91694
Bicifadine
CID 47953
1-Benzylpiperazine
CID 75994
1-Benzyl-4-piperidylamine
CID 415852
1-Methyl-3-phenylpiperazine
CID 2760009
Enefexine
CID 208916
Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
3-Methylbenzylpiperazine
CID 79213
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
2-Phenyl-2-(1-piperidinyl)propane
CID 210768
N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine
CID 10236303
Benzyl-(5-cyclohexyl-pentyl)-amine
CID 18790208

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine (CID 105347823) is 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine is CC(CN)c1ccc(CN2CCCC(C)(C)C2)cc1.
What is the InChIKey of 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
The InChIKey is HJCPPMPKRDVPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(11-18)16-7-5-15(6-8-16)12-19-10-4-9-17(2,3)13-19/h5-8,14H,4,9-13,18H2,1-3H3.
What are the key properties of 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105347823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).