N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine

C17H29N3 — CID 66565104

IUPACN'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3/c1-15(2)20(12-10-18)17-9-6-11-19(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14,18H2,1-2H3/t17-/m0/s1
InChIKeyXEXGBFRXQGVNIW-KRWDZBQOSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds6

About N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine

N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 66565104) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID66565104
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3/c1-15(2)20(12-10-18)17-9-6-11-19(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14,18H2,1-2H3/t17-/m0/s1
InChIKeyXEXGBFRXQGVNIW-KRWDZBQOSA-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

N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66567022
N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
CID 163258237
benzyl 3-[2-aminoethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564362
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
2-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66567287
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
CID 66187288
2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
CID 66565068
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine (CID 66565104) is N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is XEXGBFRXQGVNIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(2)20(12-10-18)17-9-6-11-19(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14,18H2,1-2H3/t17-/m0/s1.
What are the key properties of N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine?
N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine 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 N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 66565104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).