(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine

C17H29N3 — CID 66567022

IUPAC(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)N(Cc1ccccc1)[C@@H]1CCCN(CCN)C1
InChIInChI=1S/C17H29N3/c1-15(2)20(13-16-7-4-3-5-8-16)17-9-6-11-19(14-17)12-10-18/h3-5,7-8,15,17H,6,9-14,18H2,1-2H3/t17-/m1/s1
InChIKeyPDZUPCVZVJKDPZ-QGZVFWFLSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds6

About (3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine

(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine (PubChem CID 66567022) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is (3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine
PubChem CID66567022
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)N(Cc1ccccc1)[C@@H]1CCCN(CCN)C1
InChIInChI=1S/C17H29N3/c1-15(2)20(13-16-7-4-3-5-8-16)17-9-6-11-19(14-17)12-10-18/h3-5,7-8,15,17H,6,9-14,18H2,1-2H3/t17-/m1/s1
InChIKeyPDZUPCVZVJKDPZ-QGZVFWFLSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66567287
N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
CID 66565104
N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
CID 163258237
2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone
CID 66567137
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
(2S)-2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one
CID 66567241
3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine
CID 60914508
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566
2-[(3R)-3-[benzyl(cyclopropyl)amino]piperidin-1-yl]ethanol
CID 66566982
2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 121226156
(2S)-2-amino-1-[3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 66567233

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of (3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine (CID 66567022) is (3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for (3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine is CC(C)N(Cc1ccccc1)[C@@H]1CCCN(CCN)C1.
What is the InChIKey of (3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine?
The InChIKey is PDZUPCVZVJKDPZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(2)20(13-16-7-4-3-5-8-16)17-9-6-11-19(14-17)12-10-18/h3-5,7-8,15,17H,6,9-14,18H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine?
(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 66567022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).