2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol

C10H22N2O — CID 115359098

IUPAC2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol
SMILESCC(C)(CO)CNC1CCNCC1
InChIInChI=1S/C10H22N2O/c1-10(2,8-13)7-12-9-3-5-11-6-4-9/h9,11-13H,3-8H2,1-2H3
InChIKeyDNVIBNRTMVJNFE-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.35
Rot. Bonds4

About 2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol

2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol (PubChem CID 115359098) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol
PubChem CID115359098
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol
SMILESCC(C)(CO)CNC1CCNCC1
InChIInChI=1S/C10H22N2O/c1-10(2,8-13)7-12-9-3-5-11-6-4-9/h9,11-13H,3-8H2,1-2H3
InChIKeyDNVIBNRTMVJNFE-UHFFFAOYSA-N
XLogP0.35
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol (CID 115359098) is 2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol is CC(C)(CO)CNC1CCNCC1.
What is the InChIKey of 2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol?
The InChIKey is DNVIBNRTMVJNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,8-13)7-12-9-3-5-11-6-4-9/h9,11-13H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol?
2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(piperidin-4-ylamino)propan-1-ol is sourced from PubChem (CID 115359098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).