(3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol

C10H19NO — CID 26525625

IUPAC(3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CC[C@]1(O)CCN(C)C[C@@H]1C
InChIInChI=1S/C10H19NO/c1-4-5-10(12)6-7-11(3)8-9(10)2/h4,9,12H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeyMPESFAHJDPBCSL-UWVGGRQHSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds2

About (3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol

(3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol (PubChem CID 26525625) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol
PubChem CID26525625
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CC[C@]1(O)CCN(C)C[C@@H]1C
InChIInChI=1S/C10H19NO/c1-4-5-10(12)6-7-11(3)8-9(10)2/h4,9,12H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeyMPESFAHJDPBCSL-UWVGGRQHSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 1506157
1-Methyl-4-vinylpiperidin-4-ol
CID 10374544
4-(4-Fluorocyclohepta-2,4,6-trien-1-yl)-1-methylpiperidin-4-ol
CID 142097572
5-Trimethyl-4-vinylpiperid-4-ol
CID 129787673
1-Methyl-4-(pent-4-en-1-yl)piperidin-4-ol
CID 167993486
(2R,3S)-3-methyl-2-(piperidin-1-yl)hex-5-en-3-ol
CID 178185652
tert-butyl (3S,4R)-4-allyl-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 178185709
1,2,5-Trimethyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 4912825
1,3-Dimethyl-4-prop-2-enylpiperidin-4-ol
CID 4917707
1,1-Dimethyl-4-prop-2-enylpiperidin-1-ium-4-ol bromide
CID 24191827
1-Ethyl-4-(2-methylprop-2-enyl)piperidin-4-ol
CID 819660
1-Methyl-4-(2-methyl-2-propen-1-yl)-4-piperidinol
CID 5200278

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol (CID 26525625) is (3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol is C=CC[C@]1(O)CCN(C)C[C@@H]1C.
What is the InChIKey of (3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol?
The InChIKey is MPESFAHJDPBCSL-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-10(12)6-7-11(3)8-9(10)2/h4,9,12H,1,5-8H2,2-3H3/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol?
(3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,3-dimethyl-4-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 26525625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).