3-piperidin-1-ylpropyl hydrogen carbonate

C9H17NO3 — CID 23210465

IUPAC3-piperidin-1-ylpropyl hydrogen carbonate
SMILESO=C(O)OCCCN1CCCCC1
InChIInChI=1S/C9H17NO3/c11-9(12)13-8-4-7-10-5-2-1-3-6-10/h1-8H2,(H,11,12)
InChIKeyZGWGELRHNLYMKI-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.56
Rot. Bonds4

About 3-piperidin-1-ylpropyl hydrogen carbonate

3-piperidin-1-ylpropyl hydrogen carbonate (PubChem CID 23210465) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl hydrogen carbonate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl hydrogen carbonate
PubChem CID23210465
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-piperidin-1-ylpropyl hydrogen carbonate
SMILESO=C(O)OCCCN1CCCCC1
InChIInChI=1S/C9H17NO3/c11-9(12)13-8-4-7-10-5-2-1-3-6-10/h1-8H2,(H,11,12)
InChIKeyZGWGELRHNLYMKI-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-pyrrolidin-1-ylpropoxy)butanamide
CID 166535880
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
oxalic acid;3-piperidin-1-ylpropyl N-tert-butylcarbamate
CID 11151722
2-[5-(2-piperidin-1-ylethoxy)pentoxy]acetamide
CID 142368425
3-pyrrolidin-1-ylpropyl N-[6-(3-pyrrolidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847303
4-pyrrolidin-1-ylbutyl 2-fluoroacetate
CID 150628266
2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
CID 174749833
11-pyrrolidin-1-ylundecanamide
CID 175975624
carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 70077869
3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
3-piperidin-1-ylpropyl hydrogen sulfate
CID 56993472
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl hydrogen carbonate?
The IUPAC name of 3-piperidin-1-ylpropyl hydrogen carbonate (CID 23210465) is 3-piperidin-1-ylpropyl hydrogen carbonate.
What is the SMILES notation for 3-piperidin-1-ylpropyl hydrogen carbonate?
The canonical SMILES for 3-piperidin-1-ylpropyl hydrogen carbonate is O=C(O)OCCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropyl hydrogen carbonate?
The InChIKey is ZGWGELRHNLYMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c11-9(12)13-8-4-7-10-5-2-1-3-6-10/h1-8H2,(H,11,12).
What are the key properties of 3-piperidin-1-ylpropyl hydrogen carbonate?
3-piperidin-1-ylpropyl hydrogen carbonate has a molecular weight of 187.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl hydrogen carbonate is sourced from PubChem (CID 23210465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).