4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol

C15H24N2O — CID 117111640

IUPAC4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C15H24N2O/c1-13(18)2-3-14-4-6-15(7-5-14)12-17-10-8-16-9-11-17/h4-7,13,16,18H,2-3,8-12H2,1H3
InChIKeyAVNLROCPBOBVFP-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.41
Rot. Bonds5

About 4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol

4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol (PubChem CID 117111640) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol
PubChem CID117111640
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C15H24N2O/c1-13(18)2-3-14-4-6-15(7-5-14)12-17-10-8-16-9-11-17/h4-7,13,16,18H,2-3,8-12H2,1H3
InChIKeyAVNLROCPBOBVFP-UHFFFAOYSA-N
XLogP1.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-propylphenyl)methyl]-1,4-diazepane
CID 82128938
1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 82264824
3-[4-(piperazin-1-ylmethyl)phenyl]propanal
CID 117336777
1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine
CID 117111643
2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid
CID 117379200
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
1-[[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]methyl]piperazine
CID 117111637

Frequently Asked Questions

What is the IUPAC name of 4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol?
The IUPAC name of 4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol (CID 117111640) is 4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol?
The canonical SMILES for 4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol is CC(O)CCc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol?
The InChIKey is AVNLROCPBOBVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(18)2-3-14-4-6-15(7-5-14)12-17-10-8-16-9-11-17/h4-7,13,16,18H,2-3,8-12H2,1H3.
What are the key properties of 4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol?
4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol is sourced from PubChem (CID 117111640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).