1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine

C17H26N2 — CID 117400009

IUPAC1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(CCN3CCCCC3)cc2)CCC1
InChIInChI=1S/C17H26N2/c18-17(10-4-11-17)16-7-5-15(6-8-16)9-14-19-12-2-1-3-13-19/h5-8H,1-4,9-14,18H2
InChIKeyWKEQEWRCAMEISS-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine

1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine (PubChem CID 117400009) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine
PubChem CID117400009
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(CCN3CCCCC3)cc2)CCC1
InChIInChI=1S/C17H26N2/c18-17(10-4-11-17)16-7-5-15(6-8-16)9-14-19-12-2-1-3-13-19/h5-8H,1-4,9-14,18H2
InChIKeyWKEQEWRCAMEISS-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
CID 117400107
1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793947
2-[4-(1-aminocyclobutyl)phenyl]ethanol
CID 117112872
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-ol
CID 117403000
1-[2-[4-(1-isocyanatocyclopropyl)phenyl]ethyl]piperidine
CID 117429353
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
1-[2-(4-ethenylphenyl)ethyl]azetidine
CID 174663360
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052
1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine
CID 57495495

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine (CID 117400009) is 1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine is NC1(c2ccc(CCN3CCCCC3)cc2)CCC1.
What is the InChIKey of 1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine?
The InChIKey is WKEQEWRCAMEISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-17(10-4-11-17)16-7-5-15(6-8-16)9-14-19-12-2-1-3-13-19/h5-8H,1-4,9-14,18H2.
What are the key properties of 1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine?
1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117400009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).