[(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol

C10H20N2O — CID 67315088

IUPAC[(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol
SMILESOC[C@@H]1C[C@@H](N2CCCC2)CCN1
InChIInChI=1S/C10H20N2O/c13-8-9-7-10(3-4-11-9)12-5-1-2-6-12/h9-11,13H,1-8H2/t9-,10-/m0/s1
InChIKeyJEMXQIZGIMRAHN-UWVGGRQHSA-N
MW184.28 g/mol
LogP0.20
Rot. Bonds2

About [(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol

[(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol (PubChem CID 67315088) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is [(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol
PubChem CID67315088
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name[(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol
SMILESOC[C@@H]1C[C@@H](N2CCCC2)CCN1
InChIInChI=1S/C10H20N2O/c13-8-9-7-10(3-4-11-9)12-5-1-2-6-12/h9-11,13H,1-8H2/t9-,10-/m0/s1
InChIKeyJEMXQIZGIMRAHN-UWVGGRQHSA-N
XLogP0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol (CID 67315088) is [(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol is OC[C@@H]1C[C@@H](N2CCCC2)CCN1.
What is the InChIKey of [(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol?
The InChIKey is JEMXQIZGIMRAHN-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2O/c13-8-9-7-10(3-4-11-9)12-5-1-2-6-12/h9-11,13H,1-8H2/t9-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol?
[(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol has a molecular weight of 184.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-pyrrolidin-1-ylpiperidin-2-yl]methanol is sourced from PubChem (CID 67315088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).