2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol

C14H29N3O — CID 64791262

IUPAC2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol
SMILESNC(CO)CCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H29N3O/c15-14(12-18)5-10-16-8-3-13(4-9-16)11-17-6-1-2-7-17/h13-14,18H,1-12,15H2
InChIKeyDXCSKVFBXYSYKC-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.50
Rot. Bonds6

About 2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol

2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol (PubChem CID 64791262) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol
PubChem CID64791262
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol
SMILESNC(CO)CCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H29N3O/c15-14(12-18)5-10-16-8-3-13(4-9-16)11-17-6-1-2-7-17/h13-14,18H,1-12,15H2
InChIKeyDXCSKVFBXYSYKC-UHFFFAOYSA-N
XLogP0.50
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004
5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
CID 62996721
2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol
CID 64791676
1-cyclopentyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanol
CID 104752834
3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 113416111
1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine
CID 83835140
1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
CID 79841857
4-piperidin-1-ylbutane-1,2-diamine
CID 68919851
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide
CID 65252553
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide
CID 63584815

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol?
The IUPAC name of 2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol (CID 64791262) is 2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol?
The canonical SMILES for 2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol is NC(CO)CCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol?
The InChIKey is DXCSKVFBXYSYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c15-14(12-18)5-10-16-8-3-13(4-9-16)11-17-6-1-2-7-17/h13-14,18H,1-12,15H2.
What are the key properties of 2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol?
2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol has a molecular weight of 255.41 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 64791262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).