1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine

C14H23N3 — CID 786336

IUPAC1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
SMILESCC[C@H](C)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H23N3/c1-3-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15-11-14/h4-6,11,13H,3,7-10,12H2,1-2H3/t13-/m0/s1
InChIKeyZVXYMPPYQQYSID-ZDUSSCGKSA-N
MW233.36 g/mol
LogP2.00
Rot. Bonds4

About 1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine

1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 786336) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
PubChem CID786336
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
SMILESCC[C@H](C)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H23N3/c1-3-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15-11-14/h4-6,11,13H,3,7-10,12H2,1-2H3/t13-/m0/s1
InChIKeyZVXYMPPYQQYSID-ZDUSSCGKSA-N
XLogP2.00
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 134077416
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
oxalic acid;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperazine
CID 2879902
1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol
CID 134435119
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77096467
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55116433
1-[(2R)-2-phenylpropyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane
CID 95718209
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine (CID 786336) is 1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine is CC[C@H](C)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is ZVXYMPPYQQYSID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15-11-14/h4-6,11,13H,3,7-10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine?
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 233.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 786336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).