4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol

C12H26N2O — CID 106840824

IUPAC4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
SMILESCC(CC1CCCCN1)NCCCCO
InChIInChI=1S/C12H26N2O/c1-11(13-7-4-5-9-15)10-12-6-2-3-8-14-12/h11-15H,2-10H2,1H3
InChIKeyUDRRCQANSWEZAC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.27
Rot. Bonds7

About 4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol

4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol (PubChem CID 106840824) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
PubChem CID106840824
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
SMILESCC(CC1CCCCN1)NCCCCO
InChIInChI=1S/C12H26N2O/c1-11(13-7-4-5-9-15)10-12-6-2-3-8-14-12/h11-15H,2-10H2,1H3
InChIKeyUDRRCQANSWEZAC-UHFFFAOYSA-N
XLogP1.27
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine
CID 115516388
1-piperidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 79549233
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172
1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
CID 79560276
N-[3-[1-(azepan-2-yl)propan-2-ylamino]propyl]methanesulfonamide
CID 106333370
N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine
CID 79538896
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541660
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895

Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol (CID 106840824) is 4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol is CC(CC1CCCCN1)NCCCCO.
What is the InChIKey of 4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol?
The InChIKey is UDRRCQANSWEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(13-7-4-5-9-15)10-12-6-2-3-8-14-12/h11-15H,2-10H2,1H3.
What are the key properties of 4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol?
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol is sourced from PubChem (CID 106840824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).