[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate

C13H25N3O2 — CID 175359661

IUPAC[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O2/c14-13(17)18-10-12-3-7-16(8-4-12)9-11-1-5-15-6-2-11/h11-12,15H,1-10H2,(H2,14,17)
InChIKeyVHQQFFACGPLCKL-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.79
Rot. Bonds4

About [1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate

[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate (PubChem CID 175359661) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate
PubChem CID175359661
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate
SMILESNC(=O)OCC1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O2/c14-13(17)18-10-12-3-7-16(8-4-12)9-11-1-5-15-6-2-11/h11-12,15H,1-10H2,(H2,14,17)
InChIKeyVHQQFFACGPLCKL-UHFFFAOYSA-N
XLogP0.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate?
The IUPAC name of [1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate (CID 175359661) is [1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate is NC(=O)OCC1CCN(CC2CCNCC2)CC1.
What is the InChIKey of [1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate?
The InChIKey is VHQQFFACGPLCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-13(17)18-10-12-3-7-16(8-4-12)9-11-1-5-15-6-2-11/h11-12,15H,1-10H2,(H2,14,17).
What are the key properties of [1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate?
[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate has a molecular weight of 255.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175359661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).