2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate

C16H24N2O2 — CID 142452605

IUPAC2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate
SMILESO=COCCN(Cc1ccccc1)CC1CCCCN1
InChIInChI=1S/C16H24N2O2/c19-14-20-11-10-18(12-15-6-2-1-3-7-15)13-16-8-4-5-9-17-16/h1-3,6-7,14,16-17H,4-5,8-13H2
InChIKeyPAIQAGIQCRSYEK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.80
Rot. Bonds8

About 2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate

2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate (PubChem CID 142452605) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate.

Molecular Properties

Compound Name2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate
PubChem CID142452605
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate
SMILESO=COCCN(Cc1ccccc1)CC1CCCCN1
InChIInChI=1S/C16H24N2O2/c19-14-20-11-10-18(12-15-6-2-1-3-7-15)13-16-8-4-5-9-17-16/h1-3,6-7,14,16-17H,4-5,8-13H2
InChIKeyPAIQAGIQCRSYEK-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N-[(4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606243
N-[(2-cyclopropylphenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606362
N-[[3-(methoxymethyl)phenyl]methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623591
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605874
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate?
The IUPAC name of 2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate (CID 142452605) is 2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate.
What is the SMILES notation for 2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate?
The canonical SMILES for 2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate is O=COCCN(Cc1ccccc1)CC1CCCCN1.
What is the InChIKey of 2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate?
The InChIKey is PAIQAGIQCRSYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-14-20-11-10-18(12-15-6-2-1-3-7-15)13-16-8-4-5-9-17-16/h1-3,6-7,14,16-17H,4-5,8-13H2.
What are the key properties of 2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate?
2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate has a molecular weight of 276.38 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(piperidin-2-ylmethyl)amino]ethyl formate is sourced from PubChem (CID 142452605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).