2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline

C16H26N2 — CID 82086323

IUPAC2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline
SMILESCc1cccc(C(C)C)c1NCC1CCCNC1
InChIInChI=1S/C16H26N2/c1-12(2)15-8-4-6-13(3)16(15)18-11-14-7-5-9-17-10-14/h4,6,8,12,14,17-18H,5,7,9-11H2,1-3H3
InChIKeyDROXYMDKLLTLFU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.53
Rot. Bonds4

About 2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline

2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline (PubChem CID 82086323) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline
PubChem CID82086323
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline
SMILESCc1cccc(C(C)C)c1NCC1CCCNC1
InChIInChI=1S/C16H26N2/c1-12(2)15-8-4-6-13(3)16(15)18-11-14-7-5-9-17-10-14/h4,6,8,12,14,17-18H,5,7,9-11H2,1-3H3
InChIKeyDROXYMDKLLTLFU-UHFFFAOYSA-N
XLogP3.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263416
2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline
CID 82818461
4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
CID 115209479
3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119460874
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 62356360
1-(2-methylphenyl)-2-piperidin-3-ylethanol
CID 84685007
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032
N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide
CID 63104160
4-methyl-3-(piperidin-3-ylmethylamino)benzonitrile
CID 80555575
(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 81349439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline?
The IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline (CID 82086323) is 2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline?
The canonical SMILES for 2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline is Cc1cccc(C(C)C)c1NCC1CCCNC1.
What is the InChIKey of 2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline?
The InChIKey is DROXYMDKLLTLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)15-8-4-6-13(3)16(15)18-11-14-7-5-9-17-10-14/h4,6,8,12,14,17-18H,5,7,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline?
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline is sourced from PubChem (CID 82086323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).