4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol

C15H25N3O — CID 7445985

IUPAC4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol
SMILESC[C@@H](CCc1ccc(O)cc1)NN1CCN(C)CC1
InChIInChI=1S/C15H25N3O/c1-13(16-18-11-9-17(2)10-12-18)3-4-14-5-7-15(19)8-6-14/h5-8,13,16,19H,3-4,9-12H2,1-2H3/t13-/m0/s1
InChIKeyTYMIIFAENAVWOE-ZDUSSCGKSA-N
MW263.38 g/mol
LogP1.47
Rot. Bonds5

About 4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol

4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol (PubChem CID 7445985) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol
PubChem CID7445985
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol
SMILESC[C@@H](CCc1ccc(O)cc1)NN1CCN(C)CC1
InChIInChI=1S/C15H25N3O/c1-13(16-18-11-9-17(2)10-12-18)3-4-14-5-7-15(19)8-6-14/h5-8,13,16,19H,3-4,9-12H2,1-2H3/t13-/m0/s1
InChIKeyTYMIIFAENAVWOE-ZDUSSCGKSA-N
XLogP1.47
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(pyrrol-1-ylamino)butyl]phenol
CID 79090689
1-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 51945508
4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
CID 61212712
4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol
CID 61471809
4-methyl-N-[(2R)-1-phenylpropan-2-yl]piperazin-1-amine
CID 124600300
2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 114350675
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
CID 43534909
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958
(4aS,8aR)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 100893934
4-[3-[(1-methylpyrrol-3-yl)methylamino]butyl]phenol
CID 66397478
(2S)-2-(hydroxymethyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
CID 111427824

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol?
The IUPAC name of 4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol (CID 7445985) is 4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol.
What is the SMILES notation for 4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol?
The canonical SMILES for 4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol is C[C@@H](CCc1ccc(O)cc1)NN1CCN(C)CC1.
What is the InChIKey of 4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol?
The InChIKey is TYMIIFAENAVWOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(16-18-11-9-17(2)10-12-18)3-4-14-5-7-15(19)8-6-14/h5-8,13,16,19H,3-4,9-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol?
4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[(4-methylpiperazin-1-yl)amino]butyl]phenol is sourced from PubChem (CID 7445985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).