N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine

C18H30N2 — CID 43373316

IUPACN-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCCCCc1ccc(C(C)NC2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-5-6-16-7-9-17(10-8-16)15(2)19-18-11-13-20(3)14-12-18/h7-10,15,18-19H,4-6,11-14H2,1-3H3
InChIKeyYNPUEHMNGKXPFQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds6

About N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine

N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 43373316) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
PubChem CID43373316
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCCCCc1ccc(C(C)NC2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-5-6-16-7-9-17(10-8-16)15(2)19-18-11-13-20(3)14-12-18/h7-10,15,18-19H,4-6,11-14H2,1-3H3
InChIKeyYNPUEHMNGKXPFQ-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745968
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[1-(4-butylphenyl)ethyl]-1,1-dioxothian-3-amine
CID 63923883
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 60856073
1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine
CID 43747046
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine (CID 43373316) is N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine is CCCCc1ccc(C(C)NC2CCN(C)CC2)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is YNPUEHMNGKXPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-6-16-7-9-17(10-8-16)15(2)19-18-11-13-20(3)14-12-18/h7-10,15,18-19H,4-6,11-14H2,1-3H3.
What are the key properties of N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine?
N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43373316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).