(3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol

C11H21NO — CID 138739789

IUPAC(3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol
SMILESCC[C@H]1C[C@H](O)CN(CC2CC2)C1
InChIInChI=1S/C11H21NO/c1-2-9-5-11(13)8-12(6-9)7-10-3-4-10/h9-11,13H,2-8H2,1H3/t9-,11-/m0/s1
InChIKeyBVPZAVRDYGUOEA-ONGXEEELSA-N
MW183.29 g/mol
LogP1.49
Rot. Bonds3

About (3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol

(3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol (PubChem CID 138739789) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol
PubChem CID138739789
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol
SMILESCC[C@H]1C[C@H](O)CN(CC2CC2)C1
InChIInChI=1S/C11H21NO/c1-2-9-5-11(13)8-12(6-9)7-10-3-4-10/h9-11,13H,2-8H2,1H3/t9-,11-/m0/s1
InChIKeyBVPZAVRDYGUOEA-ONGXEEELSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol?
The IUPAC name of (3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol (CID 138739789) is (3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol.
What is the SMILES notation for (3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol?
The canonical SMILES for (3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol is CC[C@H]1C[C@H](O)CN(CC2CC2)C1.
What is the InChIKey of (3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol?
The InChIKey is BVPZAVRDYGUOEA-ONGXEEELSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-9-5-11(13)8-12(6-9)7-10-3-4-10/h9-11,13H,2-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of (3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol?
(3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol is sourced from PubChem (CID 138739789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).