[(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol

C14H29N3O — CID 110197508

IUPAC[(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol
SMILESCN1CCC(N2CC[C@H](CO)[C@H](N(C)C)C2)CC1
InChIInChI=1S/C14H29N3O/c1-15(2)14-10-17(9-4-12(14)11-18)13-5-7-16(3)8-6-13/h12-14,18H,4-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyIZPQSASLKUUESZ-TZMCWYRMSA-N
MW255.41 g/mol
LogP0.32
Rot. Bonds3

About [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol

[(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol (PubChem CID 110197508) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol
PubChem CID110197508
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name[(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol
SMILESCN1CCC(N2CC[C@H](CO)[C@H](N(C)C)C2)CC1
InChIInChI=1S/C14H29N3O/c1-15(2)14-10-17(9-4-12(14)11-18)13-5-7-16(3)8-6-13/h12-14,18H,4-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyIZPQSASLKUUESZ-TZMCWYRMSA-N
XLogP0.32
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol (CID 110197508) is [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol is CN1CCC(N2CC[C@H](CO)[C@H](N(C)C)C2)CC1.
What is the InChIKey of [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is IZPQSASLKUUESZ-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H29N3O/c1-15(2)14-10-17(9-4-12(14)11-18)13-5-7-16(3)8-6-13/h12-14,18H,4-11H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol?
[(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 255.41 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(dimethylamino)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 110197508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).