4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline

C17H29N3 — CID 54793813

IUPAC4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CN2CCCC(CN)C2)cc1
InChIInChI=1S/C17H29N3/c1-3-20(4-2)17-9-7-15(8-10-17)13-19-11-5-6-16(12-18)14-19/h7-10,16H,3-6,11-14,18H2,1-2H3
InChIKeyOYDXNQRPAMSUMC-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.70
Rot. Bonds6

About 4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline

4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline (PubChem CID 54793813) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
PubChem CID54793813
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CN2CCCC(CN)C2)cc1
InChIInChI=1S/C17H29N3/c1-3-20(4-2)17-9-7-15(8-10-17)13-19-11-5-6-16(12-18)14-19/h7-10,16H,3-6,11-14,18H2,1-2H3
InChIKeyOYDXNQRPAMSUMC-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 102550610
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
[1-[(4-trimethylsilylphenyl)methyl]piperidin-3-yl]methanamine
CID 103438148
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
CID 129493697
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 145119279
4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride
CID 66569597
[1-[[4-(difluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836624
(1-benzylazepan-3-yl)methanamine
CID 15718476
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
CID 54794603
[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 97165519
5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120836846

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline (CID 54793813) is 4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline is CCN(CC)c1ccc(CN2CCCC(CN)C2)cc1.
What is the InChIKey of 4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline?
The InChIKey is OYDXNQRPAMSUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-20(4-2)17-9-7-15(8-10-17)13-19-11-5-6-16(12-18)14-19/h7-10,16H,3-6,11-14,18H2,1-2H3.
What are the key properties of 4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline?
4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline has a molecular weight of 275.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline is sourced from PubChem (CID 54793813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).