2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine

C18H30N2 — CID 105346383

IUPAC2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine
SMILESCCCC1CCN(Cc2ccc(C(C)CN)cc2)CC1
InChIInChI=1S/C18H30N2/c1-3-4-16-9-11-20(12-10-16)14-17-5-7-18(8-6-17)15(2)13-19/h5-8,15-16H,3-4,9-14,19H2,1-2H3
InChIKeyJAUXBFSZCWAVGE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.76
Rot. Bonds6

About 2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine

2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine (PubChem CID 105346383) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine
PubChem CID105346383
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine
SMILESCCCC1CCN(Cc2ccc(C(C)CN)cc2)CC1
InChIInChI=1S/C18H30N2/c1-3-4-16-9-11-20(12-10-16)14-17-5-7-18(8-6-17)15(2)13-19/h5-8,15-16H,3-4,9-14,19H2,1-2H3
InChIKeyJAUXBFSZCWAVGE-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine
CID 105347939
5-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62206657
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol
CID 62199977
N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346333
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983268
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 105347432
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983238
[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62439493
[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 113356734

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine (CID 105346383) is 2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine is CCCC1CCN(Cc2ccc(C(C)CN)cc2)CC1.
What is the InChIKey of 2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
The InChIKey is JAUXBFSZCWAVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-4-16-9-11-20(12-10-16)14-17-5-7-18(8-6-17)15(2)13-19/h5-8,15-16H,3-4,9-14,19H2,1-2H3.
What are the key properties of 2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine?
2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105346383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).