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

C16H26N2 — CID 60820296

IUPACN-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
SMILESCNC1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C16H26N2/c1-13(2)15-6-4-14(5-7-15)12-18-10-8-16(17-3)9-11-18/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyBGCPVZPGCNKRHI-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.99
Rot. Bonds4

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

N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine (PubChem CID 60820296) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
PubChem CID60820296
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
SMILESCNC1CCN(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C16H26N2/c1-13(2)15-6-4-14(5-7-15)12-18-10-8-16(17-3)9-11-18/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyBGCPVZPGCNKRHI-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834027
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
N-methyl-1-(naphthalen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 119923658
4-[[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503695
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469
1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine (CID 60820296) is N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine is CNC1CCN(Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine?
The InChIKey is BGCPVZPGCNKRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-6-4-14(5-7-15)12-18-10-8-16(17-3)9-11-18/h4-7,13,16-17H,8-12H2,1-3H3.
What are the key properties of N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine?
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 60820296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).