N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine

C17H29N3 — CID 96552846

IUPACN'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H29N3/c1-2-19(13-11-18)15-17-10-6-7-12-20(17)14-16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15,18H2,1H3/t17-/m1/s1
InChIKeyUPVWLTFWQIHBDS-QGZVFWFLSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds7

About N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine

N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine (PubChem CID 96552846) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
PubChem CID96552846
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H29N3/c1-2-19(13-11-18)15-17-10-6-7-12-20(17)14-16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15,18H2,1H3/t17-/m1/s1
InChIKeyUPVWLTFWQIHBDS-QGZVFWFLSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine
CID 96552855
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
CID 96553026
benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate
CID 66564351
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164
2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
CID 77143825
benzyl (2S)-2-[[2-aminoethyl(ethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564345
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
(2S)-2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethyl-3-methylbutanamide
CID 96553087
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853

Frequently Asked Questions

What is the IUPAC name of N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine (CID 96552846) is N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)C[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is UPVWLTFWQIHBDS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-19(13-11-18)15-17-10-6-7-12-20(17)14-16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15,18H2,1H3/t17-/m1/s1.
What are the key properties of N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine?
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 96552846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).