N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

C18H30N2O — CID 106637432

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCOc1ccc(C)cc1CN(CC1CCCNC1)C(C)C
InChIInChI=1S/C18H30N2O/c1-14(2)20(12-16-6-5-9-19-11-16)13-17-10-15(3)7-8-18(17)21-4/h7-8,10,14,16,19H,5-6,9,11-13H2,1-4H3
InChIKeyPWWPNOCFPDIICB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.21
Rot. Bonds6

About N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (PubChem CID 106637432) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
PubChem CID106637432
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCOc1ccc(C)cc1CN(CC1CCCNC1)C(C)C
InChIInChI=1S/C18H30N2O/c1-14(2)20(12-16-6-5-9-19-11-16)13-17-10-15(3)7-8-18(17)21-4/h7-8,10,14,16,19H,5-6,9,11-13H2,1-4H3
InChIKeyPWWPNOCFPDIICB-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624044
2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106623984
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637553
N-ethyl-2-methoxy-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629432
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106624038
N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624214
N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 126450801
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480
N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637770
N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637313

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (CID 106637432) is N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is COc1ccc(C)cc1CN(CC1CCCNC1)C(C)C.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The InChIKey is PWWPNOCFPDIICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)20(12-16-6-5-9-19-11-16)13-17-10-15(3)7-8-18(17)21-4/h7-8,10,14,16,19H,5-6,9,11-13H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106637432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).