N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride

C15H26Cl2N2 — CID 56831759

IUPACN-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
SMILESCCN(Cc1ccccc1)CC1CCCCN1.Cl.Cl
InChIInChI=1S/C15H24N2.2ClH/c1-2-17(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16-15;;/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3;2*1H
InChIKeySGKMYDYEAHDVHH-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.49
Rot. Bonds5

About N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride

N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride (PubChem CID 56831759) has the molecular formula C15H26Cl2N2 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
PubChem CID56831759
Molecular FormulaC15H26Cl2N2
Molecular Weight305.29 g/mol
Exact Mass304.15
IUPAC NameN-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
SMILESCCN(Cc1ccccc1)CC1CCCCN1.Cl.Cl
InChIInChI=1S/C15H24N2.2ClH/c1-2-17(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16-15;;/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3;2*1H
InChIKeySGKMYDYEAHDVHH-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106622609
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106622610
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
N-(naphthalen-1-ylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603263
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-[[2-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603473
1-[ethyl(piperidin-2-ylmethyl)amino]-2-phenylpropan-2-ol
CID 106632567
2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate
CID 142452605

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride?
The IUPAC name of N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride (CID 56831759) is N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride.
What is the SMILES notation for N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride?
The canonical SMILES for N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride is CCN(Cc1ccccc1)CC1CCCCN1.Cl.Cl.
What is the InChIKey of N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride?
The InChIKey is SGKMYDYEAHDVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.2ClH/c1-2-17(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16-15;;/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3;2*1H.
What are the key properties of N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride?
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride has a molecular weight of 305.29 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride is sourced from PubChem (CID 56831759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).