[1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine

C16H25N3 — CID 117403046

IUPAC[1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2ccc(CN3CCNCC3)cc2)CCC1
InChIInChI=1S/C16H25N3/c17-13-16(6-1-7-16)15-4-2-14(3-5-15)12-19-10-8-18-9-11-19/h2-5,18H,1,6-13,17H2
InChIKeyALKJXRCFVSNFSA-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.47
Rot. Bonds4

About [1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine

[1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117403046) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is [1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine
PubChem CID117403046
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name[1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2ccc(CN3CCNCC3)cc2)CCC1
InChIInChI=1S/C16H25N3/c17-13-16(6-1-7-16)15-4-2-14(3-5-15)12-19-10-8-18-9-11-19/h2-5,18H,1,6-13,17H2
InChIKeyALKJXRCFVSNFSA-UHFFFAOYSA-N
XLogP1.47
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine
CID 117464200
4-[4-(piperazin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octane
CID 117459996
2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
CID 117438634
1-[[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]methyl]piperazine
CID 117111656
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
4-(1,4-diazepan-1-ylmethyl)aniline
CID 82162727
dizinc bis(1-[[4-(1,4,10-triaza-7-azanidacyclododec-1-ylmethyl)phenyl]methyl]-1,4,10-triaza-7-azanidacyclododecane)
CID 57372956
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
CID 11174238
propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128

Frequently Asked Questions

What is the IUPAC name of [1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine (CID 117403046) is [1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine is NCC1(c2ccc(CN3CCNCC3)cc2)CCC1.
What is the InChIKey of [1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is ALKJXRCFVSNFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c17-13-16(6-1-7-16)15-4-2-14(3-5-15)12-19-10-8-18-9-11-19/h2-5,18H,1,6-13,17H2.
What are the key properties of [1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine?
[1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 259.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(piperazin-1-ylmethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117403046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).