2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol

C14H28N2O2 — CID 91579071

IUPAC2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol
SMILESOCC(C(O)CC1CCCNC1)N1CCCCC1
InChIInChI=1S/C14H28N2O2/c17-11-13(16-7-2-1-3-8-16)14(18)9-12-5-4-6-15-10-12/h12-15,17-18H,1-11H2
InChIKeyMJUGLSKFAMFTRM-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.58
Rot. Bonds5

About 2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol

2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol (PubChem CID 91579071) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol.

Molecular Properties

Compound Name2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol
PubChem CID91579071
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol
SMILESOCC(C(O)CC1CCCNC1)N1CCCCC1
InChIInChI=1S/C14H28N2O2/c17-11-13(16-7-2-1-3-8-16)14(18)9-12-5-4-6-15-10-12/h12-15,17-18H,1-11H2
InChIKeyMJUGLSKFAMFTRM-UHFFFAOYSA-N
XLogP0.58
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol?
The IUPAC name of 2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol (CID 91579071) is 2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol.
What is the SMILES notation for 2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol?
The canonical SMILES for 2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol is OCC(C(O)CC1CCCNC1)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol?
The InChIKey is MJUGLSKFAMFTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c17-11-13(16-7-2-1-3-8-16)14(18)9-12-5-4-6-15-10-12/h12-15,17-18H,1-11H2.
What are the key properties of 2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol?
2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol has a molecular weight of 256.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol is sourced from PubChem (CID 91579071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).