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

C18H31N3 — CID 105347432

IUPACN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2ccc(C(C)CN)cc2)CC1
InChIInChI=1S/C18H31N3/c1-4-21-11-9-18(10-12-21)20(3)14-16-5-7-17(8-6-16)15(2)13-19/h5-8,15,18H,4,9-14,19H2,1-3H3
InChIKeyVMUSPRNVENEKOA-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.66
Rot. Bonds6

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

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 105347432) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID105347432
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2ccc(C(C)CN)cc2)CC1
InChIInChI=1S/C18H31N3/c1-4-21-11-9-18(10-12-21)20(3)14-16-5-7-17(8-6-16)15(2)13-19/h5-8,15,18H,4,9-14,19H2,1-3H3
InChIKeyVMUSPRNVENEKOA-UHFFFAOYSA-N
XLogP2.66
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6726
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CID 16622
Fendiline Hydrochloride
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Benzhydrylpiperazine
CID 70048
Norbenzphetamine
CID 102554
N-Benzylamphetamine
CID 10149140
Bis(alpha-methylbenzyl)amine
CID 24804
1-Benzyl-4-piperidylamine
CID 415852
1-Methyl-3-phenylpiperazine
CID 2760009
N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773
Enefexine
CID 208916

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine (CID 105347432) is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)Cc2ccc(C(C)CN)cc2)CC1.
What is the InChIKey of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is VMUSPRNVENEKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-21-11-9-18(10-12-21)20(3)14-16-5-7-17(8-6-16)15(2)13-19/h5-8,15,18H,4,9-14,19H2,1-3H3.
What are the key properties of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 105347432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).