N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline

C16H26N2 — CID 119930941

IUPACN-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline
SMILESCC(C)c1cccc(N(C)CC2CCNCC2)c1
InChIInChI=1S/C16H26N2/c1-13(2)15-5-4-6-16(11-15)18(3)12-14-7-9-17-10-8-14/h4-6,11,13-14,17H,7-10,12H2,1-3H3
InChIKeyWQWRXSFKXLHCMB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.25
Rot. Bonds4

About N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline

N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline (PubChem CID 119930941) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline
PubChem CID119930941
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline
SMILESCC(C)c1cccc(N(C)CC2CCNCC2)c1
InChIInChI=1S/C16H26N2/c1-13(2)15-5-4-6-16(11-15)18(3)12-14-7-9-17-10-8-14/h4-6,11,13-14,17H,7-10,12H2,1-3H3
InChIKeyWQWRXSFKXLHCMB-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
CID 115209862
N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119752994
4-ethyl-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 62002097
3-amino-1-[3-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 59316963
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209878
N-methyl-1-(3-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79708382
4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride
CID 69426314
3-iodo-N-methyl-4-nitro-N-(piperidin-4-ylmethyl)aniline
CID 106493510
2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide
CID 91755475
N-benzyl-N-methyl-3-propan-2-ylaniline;1,4-di(propan-2-yl)benzene
CID 178169461
2-chloro-N-(cyclohexylmethyl)-N-(3-propan-2-ylphenyl)acetamide
CID 53416918

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline (CID 119930941) is N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline is CC(C)c1cccc(N(C)CC2CCNCC2)c1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline?
The InChIKey is WQWRXSFKXLHCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-5-4-6-16(11-15)18(3)12-14-7-9-17-10-8-14/h4-6,11,13-14,17H,7-10,12H2,1-3H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline?
N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline is sourced from PubChem (CID 119930941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).