N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine

C17H28N2 — CID 106623045

IUPACN-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
SMILESCC(C)c1ccc(CN(C)CC2CCCCN2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)16-9-7-15(8-10-16)12-19(3)13-17-6-4-5-11-18-17/h7-10,14,17-18H,4-6,11-13H2,1-3H3
InChIKeyGKXRRKVKRVDZDH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds5

About N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine

N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine (PubChem CID 106623045) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
PubChem CID106623045
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
SMILESCC(C)c1ccc(CN(C)CC2CCCCN2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)16-9-7-15(8-10-16)12-19(3)13-17-6-4-5-11-18-17/h7-10,14,17-18H,4-6,11-13H2,1-3H3
InChIKeyGKXRRKVKRVDZDH-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 106622875
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine
CID 64570164
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829984
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622812

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine?
The IUPAC name of N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine (CID 106623045) is N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine?
The canonical SMILES for N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine is CC(C)c1ccc(CN(C)CC2CCCCN2)cc1.
What is the InChIKey of N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine?
The InChIKey is GKXRRKVKRVDZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)16-9-7-15(8-10-16)12-19(3)13-17-6-4-5-11-18-17/h7-10,14,17-18H,4-6,11-13H2,1-3H3.
What are the key properties of N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine?
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine is sourced from PubChem (CID 106623045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).