N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine

C17H28N2O — CID 79707512

IUPACN-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine
SMILESCCCOc1cccc(CN(C)CC2CCNCC2)c1
InChIInChI=1S/C17H28N2O/c1-3-11-20-17-6-4-5-16(12-17)14-19(2)13-15-7-9-18-10-8-15/h4-6,12,15,18H,3,7-11,13-14H2,1-2H3
InChIKeyZWESOXPPRMXLMV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds7

About N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine

N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine (PubChem CID 79707512) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine
PubChem CID79707512
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine
SMILESCCCOc1cccc(CN(C)CC2CCNCC2)c1
InChIInChI=1S/C17H28N2O/c1-3-11-20-17-6-4-5-16(12-17)14-19(2)13-15-7-9-18-10-8-15/h4-6,12,15,18H,3,7-11,13-14H2,1-2H3
InChIKeyZWESOXPPRMXLMV-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
N-methyl-N-(naphthalen-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929695
N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300619
2-[cyclopropylmethyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65054742
N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602830
2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65056223
N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
CID 63636894
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467
4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine
CID 20751393
2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606438
(2R)-1-[3-[[cyclopropylmethyl(methyl)amino]methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 97274159

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine?
The IUPAC name of N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine (CID 79707512) is N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine?
The canonical SMILES for N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine is CCCOc1cccc(CN(C)CC2CCNCC2)c1.
What is the InChIKey of N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine?
The InChIKey is ZWESOXPPRMXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-11-20-17-6-4-5-16(12-17)14-19(2)13-15-7-9-18-10-8-15/h4-6,12,15,18H,3,7-11,13-14H2,1-2H3.
What are the key properties of N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine?
N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine has a molecular weight of 276.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine is sourced from PubChem (CID 79707512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).