N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

C13H26N2O — CID 63978168

IUPACN-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(CCNCC2CC2)CC1
InChIInChI=1S/C13H26N2O/c1-16-11-13-4-7-15(8-5-13)9-6-14-10-12-2-3-12/h12-14H,2-11H2,1H3
InChIKeyPLKRFQQIGYEAFK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 63978168) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID63978168
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(CCNCC2CC2)CC1
InChIInChI=1S/C13H26N2O/c1-16-11-13-4-7-15(8-5-13)9-6-14-10-12-2-3-12/h12-14H,2-11H2,1H3
InChIKeyPLKRFQQIGYEAFK-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63979713
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine
CID 64582811
2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine
CID 83963164
N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-2-methylcyclohexan-1-amine
CID 63978745
N-[(1-methylpiperidin-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173752
N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine
CID 63979129
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 64582805
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63977571
N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63002779
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114411060

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (CID 63978168) is N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCN(CCNCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is PLKRFQQIGYEAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-11-13-4-7-15(8-5-13)9-6-14-10-12-2-3-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 63978168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).