N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine

C16H27N3 — CID 63785374

IUPACN-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(CCN)cc2)CC1
InChIInChI=1S/C16H27N3/c1-3-19-12-9-16(10-13-19)18(2)15-6-4-14(5-7-15)8-11-17/h4-7,16H,3,8-13,17H2,1-2H3
InChIKeyBRRHZKDNFBYZOZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.11
Rot. Bonds5

About N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine

N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 63785374) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID63785374
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(CCN)cc2)CC1
InChIInChI=1S/C16H27N3/c1-3-19-12-9-16(10-13-19)18(2)15-6-4-14(5-7-15)8-11-17/h4-7,16H,3,8-13,17H2,1-2H3
InChIKeyBRRHZKDNFBYZOZ-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

Desipramine
CID 2995
Desipramine Hydrochloride
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CID 7567
Bamipine
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CID 65684
N-ethyl-3-methylaniline
CID 7603
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
N-Ethyl-N-benzylaniline
CID 7098
4-Dimethylaminostilbene
CID 640024
N,N,N',N'-Tetramethylbenzidine
CID 9702
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CID 66759
Benzylaniline
CID 66028

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine (CID 63785374) is N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)c2ccc(CCN)cc2)CC1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is BRRHZKDNFBYZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-19-12-9-16(10-13-19)18(2)15-6-4-14(5-7-15)8-11-17/h4-7,16H,3,8-13,17H2,1-2H3.
What are the key properties of N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 63785374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).