4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine

C17H29N3 — CID 106820470

IUPAC4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
SMILESCCN(C(C)C)C1(CN)CCN(c2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-4-20(15(2)3)17(14-18)10-12-19(13-11-17)16-8-6-5-7-9-16/h5-9,15H,4,10-14,18H2,1-3H3
InChIKeyJSCWUIXFMGZTPE-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.71
Rot. Bonds5

About 4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine

4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine (PubChem CID 106820470) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
PubChem CID106820470
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
SMILESCCN(C(C)C)C1(CN)CCN(c2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-4-20(15(2)3)17(14-18)10-12-19(13-11-17)16-8-6-5-7-9-16/h5-9,15H,4,10-14,18H2,1-3H3
InChIKeyJSCWUIXFMGZTPE-UHFFFAOYSA-N
XLogP2.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine (CID 106820470) is 4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine is CCN(C(C)C)C1(CN)CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine?
The InChIKey is JSCWUIXFMGZTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-20(15(2)3)17(14-18)10-12-19(13-11-17)16-8-6-5-7-9-16/h5-9,15H,4,10-14,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine?
4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine has a molecular weight of 275.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 106820470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).