N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

C19H32N2 — CID 63159888

IUPACN-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCC1(C)CCN(Cc2cccc(CNC(C)C)c2)CC1
InChIInChI=1S/C19H32N2/c1-5-19(4)9-11-21(12-10-19)15-18-8-6-7-17(13-18)14-20-16(2)3/h6-8,13,16,20H,5,9-12,14-15H2,1-4H3
InChIKeyXJLABKQBEPWMAN-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.20
Rot. Bonds6

About N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 63159888) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID63159888
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCC1(C)CCN(Cc2cccc(CNC(C)C)c2)CC1
InChIInChI=1S/C19H32N2/c1-5-19(4)9-11-21(12-10-19)15-18-8-6-7-17(13-18)14-20-16(2)3/h6-8,13,16,20H,5,9-12,14-15H2,1-4H3
InChIKeyXJLABKQBEPWMAN-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62930308
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63159975
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556748
N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62426943
1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 63163114
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 146131801
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 63980069
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 63163387
N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 65286612
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
ethane;4-ethyl-4-methyl-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]piperidine
CID 145394691

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 63159888) is N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is CCC1(C)CCN(Cc2cccc(CNC(C)C)c2)CC1.
What is the InChIKey of N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is XJLABKQBEPWMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-19(4)9-11-21(12-10-19)15-18-8-6-7-17(13-18)14-20-16(2)3/h6-8,13,16,20H,5,9-12,14-15H2,1-4H3.
What are the key properties of N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63159888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).