[(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol

C12H25N3O — CID 170184837

IUPAC[(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol
SMILESCC(C)N1CCN(CC2CNC2)[C@H](CO)C1
InChIInChI=1S/C12H25N3O/c1-10(2)14-3-4-15(12(8-14)9-16)7-11-5-13-6-11/h10-13,16H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyBTCMTEIUZNCIKP-LBPRGKRZSA-N
MW227.35 g/mol
LogP-0.41
Rot. Bonds4

About [(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol

[(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol (PubChem CID 170184837) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is [(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol
PubChem CID170184837
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name[(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol
SMILESCC(C)N1CCN(CC2CNC2)[C@H](CO)C1
InChIInChI=1S/C12H25N3O/c1-10(2)14-3-4-15(12(8-14)9-16)7-11-5-13-6-11/h10-13,16H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyBTCMTEIUZNCIKP-LBPRGKRZSA-N
XLogP-0.41
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol?
The IUPAC name of [(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol (CID 170184837) is [(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol is CC(C)N1CCN(CC2CNC2)[C@H](CO)C1.
What is the InChIKey of [(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol?
The InChIKey is BTCMTEIUZNCIKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)14-3-4-15(12(8-14)9-16)7-11-5-13-6-11/h10-13,16H,3-9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol?
[(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol is sourced from PubChem (CID 170184837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).