N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine

C19H30N2O — CID 120841681

IUPACN-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCCc1cc(OC)ccc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H30N2O/c1-3-16-12-19(22-2)7-6-17(16)14-21-10-8-18(9-11-21)20-13-15-4-5-15/h6-7,12,15,18,20H,3-5,8-11,13-14H2,1-2H3
InChIKeyKNFJPDVAGSJWMV-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.22
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 120841681) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID120841681
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCCc1cc(OC)ccc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H30N2O/c1-3-16-12-19(22-2)7-6-17(16)14-21-10-8-18(9-11-21)20-13-15-4-5-15/h6-7,12,15,18,20H,3-5,8-11,13-14H2,1-2H3
InChIKeyKNFJPDVAGSJWMV-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
CID 102875898
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 81494890
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847195
N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 120841490
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842813
N-[[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 120966398
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 65322923
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 120845894
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine (CID 120841681) is N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine is CCc1cc(OC)ccc1CN1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is KNFJPDVAGSJWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-16-12-19(22-2)7-6-17(16)14-21-10-8-18(9-11-21)20-13-15-4-5-15/h6-7,12,15,18,20H,3-5,8-11,13-14H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 302.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 120841681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).